Stem definition | Drug id | CAS RN |
---|---|---|
bronchodilators, phenethylamine derivatives | 2848 | 81801-12-9 |
Dose | Unit | Route |
---|---|---|
0.40 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Hosey CM, Chan R, Benet LZ |
BA (Bioavailability) | 7 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.64 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 3 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.97 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 7.70 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 19.87 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | C01CX07 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Other cardiac stimulants |
MeSH PA | D018663 | Adrenergic Agents |
MeSH PA | D000322 | Adrenergic Agonists |
MeSH PA | D058665 | Adrenergic beta-1 Receptor Agonists |
MeSH PA | D000318 | Adrenergic beta-Agonists |
MeSH PA | D018377 | Neurotransmitter Agents |
None
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None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 10.48 | acidic |
pKa2 | 13.78 | acidic |
pKa3 | 7.77 | Basic |
None
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Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Beta-1 adrenergic receptor | GPCR | Kd | 7.75 | CHEMBL | |||||
Beta-2 adrenergic receptor | GPCR | Kd | 6.18 | CHEMBL | |||||
Beta-3 adrenergic receptor | GPCR | Kd | 4.70 | CHEMBL |
ID | Source |
---|---|
N0000167043 | NUI |
D06328 | KEGG_DRUG |
C0078595 | UMLSCUI |
CHEBI:10055 | CHEBI |
CHEMBL75753 | ChEMBL_ID |
DB13781 | DRUGBANK_ID |
D017307 | MESH_DESCRIPTOR_UI |
155774 | PUBCHEM_CID |
538 | IUPHAR_LIGAND_ID |
5271 | INN_ID |
73210-73-8 | SECONDARY_CAS_RN |
7HE0JQL703 | UNII |
39801 | RXNORM |
004066 | NDDF |
004067 | NDDF |
349941002 | SNOMEDCT_US |
418668004 | SNOMEDCT_US |
CHEMBL1329567 | ChEMBL_ID |
CHEMBL2104466 | ChEMBL_ID |
CHEMBL1256945 | ChEMBL_ID |
None